[9-(2,5-dicarboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(2,5-dicarboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(2,5-dicarboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(2,5-dicarboxyphenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(2,5-dicarboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(2,5-dicarboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H31N2O5+ MolecularWeight: 487.56684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C29H30N2O5/c1-5-30(6-2)19-10-13-22-25(16-19)36-26-17-20(31(7-3)8-4)11-14-23(26)27(22)24-15-18(28(32)33)9-12-21(24)29(34)35/h9-17H,5-8H2,1-4H3,(H-,32,33,34,35)/p+1